Results 241 to 250 of about 58,761 (268)

Analytic energy second derivatives for general correlated wavefunctions, including a solution of the first-order coupled-perturbed configuration-interaction equations

Chemical Physics Letters, 1983
Abstract The first theoretical method for the analytic determination of energy second derivatives for configuration-interaction wave-functions is presented. Several test cases are reported, the largest being an 8385 configuration formaldehyde wavefunction.
Douglas J. Fox, Yoshihiro Osamura, Mark R. Hoffmann, Jeffrey F. Gaw, George Fitzgerald, Yukio Yamaguchi, Henry F. Schaefer   +6 more
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On the Stability of the Zero Solution of a Second-Order Differential Equation under a Periodic Perturbation of the Center

Vestnik St. Petersburg University, Mathematics, 2018
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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A robust second-order numerical method for global solution and global normalized flux of singularly perturbed self-adjoint boundary-value problems

International Journal of Computer Mathematics, 2009
In this paper, we consider the finite difference hybrid scheme constructed by Natesan et al. for obtaining uniformly convergent global solution and uniformly convergent normalized flux for self-adjoint singularly perturbed boundary value problems. The global solution is obtained from the numerical solution at the mesh points of this scheme, having ...
C. Clavero, R. K. Bawa, S. Natesan
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A second order perturbation solution of a slightly branched and curved crack and its application to crack path prediction

Journal of the Society of Naval Architects of Japan, 1989
Perturbation analyses for slightly non-colinear and quasi-static crack extension were first performed by Banichuk (1970), and Goldstein and Salganik (1970, 1974) with the use of Muskhelishvili's complex potentials. Having obtained a rather simple expression of stress intensity factors, Cotterell and Rice (1980) examine the crack growth path of a semi ...
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Asymptotics of the general solution to a linear singularly perturbed system of second-order differential equations with degeneracy

Ukrainian Mathematical Journal, 1993
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Experiments with a local adaptive grid h-refinement for the finite-difference solution of BVPs in singularly perturbed second-order ODEs

Applied Mathematics and Computation, 2008
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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Survival outcomes used to generate version 9 American Joint Committee on Cancer staging system for anal cancer

Ca-A Cancer Journal for Clinicians, 2023
Elliot A Asare
exaly  

Ferroelectric order in van der Waals layered materials

Nature Reviews Materials, 2022
Pankaj Sharma, Jan Seidel
exaly  

Direct observation of chemical short-range order in a medium-entropy alloy

Nature, 2021
Xuefei Chen, Qi Wang, Zhiying Cheng
exaly  

The evolution of SARS-CoV-2

Nature Reviews Microbiology, 2023
, Martin Beer, Nikolaos I Stilianakis
exaly